SCHEMBL94938

SCHEMBL94938

Cc1cc(N2C(=O)NC(C)(C)C2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
TSHR P16473 2/20 0.69
MEN1 O00255 1/20 0.69
LMNA P02545 1/20 0.69
TP53 P04637 1/20 0.69
CYP1A2 P05177 1/20 0.69
PGR P06401 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
ALOX12 P18054 1/20 0.69
NFKB1 P19838 1/20 0.69
CYP2C19 P33261 1/20 0.69
RAB9A P51151 1/20 0.69
KMT2A Q03164 1/20 0.69
PDE4D Q08499 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL633074 0.85 AR (0.67) ARSMN1; SMN2TSHRMEN1LMNA
SCHEMBL634133 0.83 AR (0.65) ARSMN1; SMN2TSHRMEN1LMNA
SCHEMBL11474265 0.82 AR (0.64) ARSMN1; SMN2TSHRMEN1LMNA
Nilutamide SCHEMBL29351021 0.82 AR (1.00) ARSMN1; SMN2TSHRMEN1LMNA
Nilutamide SCHEMBL1462011 0.82 AR (1.00) ARSMN1; SMN2TSHRMEN1LMNA
Nilutamide SCHEMBL12670 0.82 AR (1.00) ARSMN1; SMN2TSHRMEN1LMNA
Nilutamide SCHEMBL28562851 0.81 AR (0.98) ARSMN1; SMN2TSHRMEN1LMNA
SCHEMBL11463857 0.79 AR (0.59) ARSMN1; SMN2TSHRMEN1LMNA
Nilutamide SCHEMBL20695037 0.77 AR (0.89) ARSMN1; SMN2TSHRMEN1LMNA
Nilutamide SCHEMBL5579273 0.77 AR (0.89) ARSMN1; SMN2TSHRMEN1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102428073-B Imidazolidine-2,4-dione derivative and the purposes as cancer drug thereof IPSEN PHARMA S.A.S. (FR) 2015-09-30 CN claimed
US-8710091-B2 Imidazolidine-2,4-dione derivatives, and use thereof as a cancer drug IPSEN PHARMA S.A.S. (FR) 2014-04-29 US claimed
EP-2419410-B1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA SAS (FR) 2013-03-06 EP claimed
US-20120083514-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2012-04-05 US claimed
EP-2419410-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2012-02-22 EP claimed
WO-2010119193-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2010-10-21 WO claimed
US-9650382-B2 Heteroarylamide derivatives having antiandrogenic properties ARANDA PHARMA LTD (FI) 2017-05-16 US disclosed
US-9296716-B2 Androgen receptor ligands THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIV. TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2016-03-29 US disclosed
CN-102428073-B Imidazolidine-2,4-dione derivative and the purposes as cancer drug thereof IPSEN PHARMA S.A.S. (FR) 2015-09-30 CN disclosed
US-20150168424-A1 IGFBP2 Biomarker WANG YAN (US) 2015-06-18 US disclosed
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
US-20150005308-A1 NOVEL HETEROARYLAMIDE DERIVATIVES HAVING ANTIANDROGENIC PROPERTIES ARANDA PHARMA LTD (FI) 2015-01-01 US disclosed
US-20140357682-A1 ANDROGEN RECEPTOR LIGANDS The Provost, Fellows, Foundation Scholars, & the Other Members of Board, of The College of the Holy (IE) 2014-12-04 US disclosed
US-20110262525-A1 METHODS OF TREATMENT SCHERING CORPORATION (US) 2011-10-27 US disclosed
US-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING XOMA TECHNOLOGY LTD. 2011-04-28 US disclosed
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY MERCK SHARP & DOHME CORP. 2011-04-21 US disclosed
US-20110014117-A1 ANTI-IGF1R SCHERING CORPORATION 2011-01-20 US disclosed
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY SCHERING CORPORATION 2011-01-13 US disclosed
WO-2010119193-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2010-10-21 WO disclosed
WO-2010119194-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AND USE THEREOF AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-10-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING VEGFA, KDR, FLT4 AR 3248/4885SMN1; SMN2 4415/4885TSHR 669/4885
US-20150168424-A1 IGFBP2 Biomarker IGFBP2, IGFBP1, IGFBP5 AR 737/4885SMN1; SMN2 1192/4885TSHR 69/4885
US-20110014117-A1 ANTI-IGF1R IGF1R, IGFBP1, IGFBP2 AR 756/4885SMN1; SMN2 2621/4885TSHR 64/4885
US-20150005308-A1 NOVEL HETEROARYLAMIDE DERIVATIVES HAVING ANTIANDROGENIC PROPERTIES AR, NR5A1, CYP19A1 AR 1/4885SMN1; SMN2 4762/4885TSHR 235/4885
US-20120083514-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG MKI67, CCND2, CCND1 AR 1752/4885SMN1; SMN2 1773/4885TSHR 1447/4885
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY TERF2IP, TERF2, DOT1L AR 4144/4885SMN1; SMN2 3879/4885TSHR 2491/4885
US-20110262525-A1 METHODS OF TREATMENT ASAH2, FOLH1, CD44 AR 2173/4885SMN1; SMN2 818/4885TSHR 3076/4885
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY IGF1R, IGFBP1, IGFBP2 AR 475/4885SMN1; SMN2 2063/4885TSHR 148/4885
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer BRCA1, VHL, TP53 AR 1666/4885SMN1; SMN2 1239/4885TSHR 4841/4885
US-20140357682-A1 ANDROGEN RECEPTOR LIGANDS AR, NR5A1, SHBG AR 1/4885SMN1; SMN2 3751/4885TSHR 150/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.